REMARK  Name = BDB023861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.115  -5.455  -1.293  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.960  -4.856  -0.533  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.011  -3.494  -0.264  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.901  -2.952   0.541  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.805  -1.476   0.370  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -0.767  -0.539   0.605  0.00  0.00    +0.165 A 
ATOM      7  N   LIG    1       -1.098   0.685   0.165  0.00  0.00    -0.152 NA
ATOM      8  N   LIG    1       -2.346   0.554  -0.320  0.00  0.00    -0.263 N 
ATOM      9  C   LIG    1       -2.803  -0.726  -0.228  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.072  -1.270  -0.773  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.266  -2.714  -0.271  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.016  -5.564  -0.183  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.549  -0.713   1.171  0.00  0.00    -0.295 N 
ATOM     14  C   LIG    1        1.681   0.038   0.814  0.00  0.00    +0.074 A 
ATOM     15  C   LIG    1        2.788  -0.501   1.467  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        4.060   0.050   1.241  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        4.146   1.117   0.356  0.00  0.00    +0.075 A 
ATOM     18  N   LIG    1        3.071   1.629  -0.283  0.00  0.00    -0.253 NA
ATOM     19  C   LIG    1        2.319  -1.550   2.285  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        1.839   1.103  -0.071  0.00  0.00    +0.138 A 
ATOM     21  C   LIG    1        0.946  -1.623   2.154  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        0.033  -2.440   2.995  0.00  0.00    +0.064 C 
BRANCH  17  23
ATOM     23  C   LIG    1        5.407   1.768   0.044  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        6.657   1.445   0.535  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1        7.533   2.325  -0.036  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        8.960   2.386   0.168  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        6.948   3.204  -0.866  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        5.656   2.863  -0.817  0.00  0.00    +0.144 A 
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  29
ATOM     29  C   LIG    1       -3.003   1.704  -0.928  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1       -2.978   2.939  -0.025  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -3.739   4.089  -0.678  0.00  0.00    +0.162 C 
ATOM     32  O   LIG    1       -3.821   3.965  -2.100  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -2.607   3.488  -2.672  0.00  0.00    +0.162 C 
ATOM     34  C   LIG    1       -2.414   2.021  -2.310  0.00  0.00    +0.055 C 
ENDBRANCH   8  29
TORSDOF 3